Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
4758542 | Microporous and Mesoporous Materials | 2017 | 39 Pages |
Abstract
Zeolites are large-scale molecular structures in three-dimensional networks of pores and cages. What about the tradeoff between the efficiency and the precision when some approximations are employed? It is challenge to finger out which the preferential T atom is and where the proton siting is because of the relative narrow RSE or RPDE range, the uneven T sites, and the ubiquitous computational error. A statistical analysis was put forward in this study.135
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
Pei Feng, Xiao-Fang Chen, Xiu-Jie Li, Dan Zhao, Su-Juan Xie, Long-Ya Xu, Guo-Zhong He,